Citation: ZHOU Min, SHI Ying-Ying, ZHANG Kai-Lin, ZHANG Xian-Yi, KONG Xiang-Lei. A Software for Top-down Mass Spectrometric Data Analysis and Its Application in Photodissociation Mass Spectrometry of Protein Ions[J]. Chinese Journal of Analytical Chemistry, ;2019, 47(8): 1153-1161. doi: 10.19756/j.issn.0253-3820.191209 shu

A Software for Top-down Mass Spectrometric Data Analysis and Its Application in Photodissociation Mass Spectrometry of Protein Ions

1.
The State Key Laboratory and Institute of Elemento-Organic Chemistry, Collage of Chemistry, Nankai University, Tianjin 300071, China;
2.
Department of Physics, Anhui Normal University, Wuhu 241000, China;
3.
School of Precision Instrument and Opto-Electronics Engineering, Tianjin University, Tianjin 300072, China;
4.
Collaborative Innovation Center of Chemical Science and Engineering, Nankai University, Tianjin 300071, China

Received Date: 17 April 2019
Revised Date: 28 May 2019

Fund Project: This work was supported by the National Natural Science Foundation of China (Nos. 21627801, 21475065).

With the development of fragmentation technology for complete protein and its application in top-down (TD) proteomics, tandem mass spectrometry of complete protein ions also provides more abundant fragment information than before. Therefore, the development of algorithms for automatic analysis of fragment ions has become an indispensable part of top-down proteomics. In this study, a software, Nan Kai top-down (NKTD), was developed to analyze the top-down mass spectrometry data. The main feature of this software was to identify overlapping peaks by using the method of "one to many" to find isotope clusters. The results of postprocessing and analysis of the identified ions were helpful for investigation of the fragment ion information of protein ions produced by different fragmentation techniques. This software was used to analyze the data of ubiquitin protein ions in IRMPD and UVPD. The results showed that the fragment ions produced by the UVPD method were abundant in variety and the coverage of the cleavage site was much better than that by the IRMPD method. More importantly, the differences between the two methods made them very complementary in the top-down mass spectrometry.
- Top-down,
- Protein,
- Peak identification,
- Infrared multiphoton dissociation,
- Ultra violet photodissociation
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沈阳化工大学材料科学与工程学院沈阳 110142